N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide

C12H18Br2N2O2S — CID 115310737

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H18Br2N2O2S/c1-8(2)12(3,7-15)16-19(17,18)11-5-4-9(13)6-10(11)14/h4-6,8,16H,7,15H2,1-3H3
InChIKeyDPJPNCJRIGOXQX-UHFFFAOYSA-N
MW414.16 g/mol
LogP2.86
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide (PubChem CID 115310737) has the molecular formula C12H18Br2N2O2S and a molecular weight of 414.16 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide
PubChem CID115310737
Molecular FormulaC12H18Br2N2O2S
Molecular Weight414.16 g/mol
Exact Mass411.95
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H18Br2N2O2S/c1-8(2)12(3,7-15)16-19(17,18)11-5-4-9(13)6-10(11)14/h4-6,8,16H,7,15H2,1-3H3
InChIKeyDPJPNCJRIGOXQX-UHFFFAOYSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.16
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527968
N-(1-amino-2,3-dimethylbutan-2-yl)-2-bromobenzenesulfonamide
CID 113284014
N-(1-amino-2,3-dimethylbutan-2-yl)-5-bromo-2-ethoxybenzenesulfonamide
CID 115310717
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3,4-trifluorobenzenesulfonamide
CID 115310595
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 115310559
N-(1-amino-2,3-dimethylbutan-2-yl)-4-cyano-2-methylbenzenesulfonamide
CID 106999005
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115310726
2,4-dibromo-N-(1-hydroxy-2-methylbutan-2-yl)benzenesulfonamide
CID 64557229
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
CID 115310013
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyanobenzenesulfonamide
CID 115310566
N-(1-aminopentan-2-yl)-2,4-dibromobenzenesulfonamide
CID 65192509
2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 114153291

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide (CID 115310737) is N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide is CC(C)C(C)(CN)NS(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide?
The InChIKey is DPJPNCJRIGOXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2O2S/c1-8(2)12(3,7-15)16-19(17,18)11-5-4-9(13)6-10(11)14/h4-6,8,16H,7,15H2,1-3H3.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide has a molecular weight of 414.16 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dibromobenzenesulfonamide is sourced from PubChem (CID 115310737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).